3-[2-bromanyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxy-benzene-1,2-dicarbonitrile

Systemtic Name: 3-[2-bromanyl-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxy-benzene-1,2-dicarbonitrile Openeye Name: 3-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxy-phthalonitrile CAS Name: 3-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxybenzene-1,2-dicarbonitrile IUPAC Name: 3-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxybenzene-1,2-dicarbonitrile Traditional Name: 3-[2-bromo-4-(1-propyl-4-bicyclo[2.2.2]octanyl)phenyl]-6-butoxy-phthalonitrile Formula: C29H33BrN2O MolecularWeight: 505.48912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

Isomeric SMILES

CCCCOC1=C(C(=C(C=C1)C2=C(C=C(C=C2)C34CCC(CC3)(CC4)CCC)Br)C#N)C#N

InChI

InChI=1S/C29H33BrN2O/c1-3-5-17-33-27-9-8-22(24(19-31)25(27)20-32)23-7-6-21(18-26(23)30)29-14-11-28(10-4-2,12-15-29)13-16-29/h6-9,18H,3-5,10-17H2,1-2H3